Crystallography Open Database

Information card for entry 1512739

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Coordinates	1512739.cif
External links	PubChem

Structure parameters

Common name	[(Me2salF4)Cu]
Formula	C22 H20 Cu F4 N2 O2
Calculated formula	C22 H20 Cu F4 N2 O2
Title of publication	Redox chemistry of copper complexes with various salen type ligands
Authors of publication	Katharina Butsch; Thomas Gunther; Axel Klein; Kathrin Stirnat; Albrecht Berkessel; Jorg Neudorfl
Journal of publication	Inorganica Chimica Acta
Year of publication	2012
Journal volume	393
Pages of publication	237 - 246
a	19.09 ± 0.003 Å
b	16.624 ± 0.003 Å
c	11.3624 ± 0.0016 Å
α	90°
β	101.063 ± 0.011°
γ	90°
Cell volume	3538.9 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.1474
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.1387
Weighted residual factors for all reflections included in the refinement	0.1588
Goodness-of-fit parameter for all reflections included in the refinement	0.61
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1512739.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512739.cif
90814	2013-11-18	cif/ Adding structures of 1512739 via cif-deposit CGI script.	1512739.cif